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PUBCHEM-ZINC02525344

 MMsINC code: MMs02893480
Type: Ionized
Formula: C11H20NO4-
SMILES:   O(C(C)(C)C)C(=O)NCCC(C(=O)[O-])(C)C
InChI:   InChI=1/C11H21NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.9553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.284 g/mol  logS: -1.56508  SlogP: 0.6773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878547  Sterimol/B1: 2.37213  Sterimol/B2: 2.61509  Sterimol/B3: 4.92839
  Sterimol/B4: 4.9835  Sterimol/L: 14.9309 
 
 Surface and Volume Properties
  Accessible surface: 480.296  Positive charged surface: 317.945  Negative charged surface: 162.351  Volume: 232.75
  Hydrophobic surface: 277.512  Hydrophilic surface: 202.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs02893479
PUBCHEM-ZINC02525344